Chemical ID: 5221971

CCCc1cccc2c1[nH]c3c2CCOC3(CC)CC(=O)O
Chemical ID:
5221971
Name [?]:
None
SMILES [?]:
CCCc1cccc2c1[nH]c3c2CCOC3(CC)CC(=O)O
InChi [?]:
InChI=1/C18H23NO3/c1-3-6-12-7-5-8-13-14-9-10-22-18(4-2,11-15(20)21)17(14)19-16(12)13/h5,7-8,19H,3-4,6,9-11H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,18,2,17,6,3,5,7,13,14,19,4,8,12,20,9,11,16,10,21,22,15/E:(20,21)/rA:22cCCCCCCCCCNCCCCOCCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s8d11;s12;s13;s14;s11s15;s16;s17;s16;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23NO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:8.89583
Area:477.621
Solvation:-3.0447
Coulombic:-46.6938
Bond Count [?]
All:24
Single:19
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:301.38
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.03
LogP (Chemaxon):3.54

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Descriptor Annotations

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